#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afp s THR 2 N 0.00 5.31 -0.20 0.00 2.01 -1.26 -3.82 115.64 117.68 1afp s THR 2 Ca 0.00 0.30 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 1afp s THR 2 Cb 0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1afp s THR 2 CO 0.00 0.31 0.46 -0.31 -0.69 0.00 0.00 174.62 174.38 1afp s TYR 3 N 1.24 3.37 0.52 4.92 2.02 -0.51 -4.80 117.35 124.11 1afp s TYR 3 Ca 0.10 0.69 -0.03 0.00 -0.37 0.00 0.00 57.07 57.46 1afp s TYR 3 Cb -0.14 -2.60 0.00 0.00 -0.40 0.00 0.00 41.96 38.82 1afp s TYR 3 CO 0.06 -0.06 0.79 -0.80 -1.57 0.00 0.00 175.55 173.97 1afp s ASN 4 N 1.10 5.74 0.00 2.29 0.02 -1.26 0.19 114.94 123.02 1afp s ASN 4 Ca 0.21 0.52 0.00 0.00 -1.02 0.00 0.00 52.86 52.57 1afp s ASN 4 Cb -0.15 -1.65 0.00 0.00 0.02 0.00 0.00 41.25 39.47 1afp s ASN 4 CO 0.09 -0.87 0.00 0.61 0.02 0.00 0.00 177.10 176.95 1afp n GLY 5 N -2.33 -0.94 3.13 0.66 0.00 -0.27 -3.87 105.19 101.57 1afp n GLY 5 Ca 0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1afp n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afp s LYS 6 N -0.42 0.68 0.09 1.61 1.02 0.52 -2.22 119.74 121.03 1afp s LYS 6 Ca 0.00 -1.13 0.04 0.00 0.02 0.00 0.00 55.97 54.90 1afp s LYS 6 Cb 0.00 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1afp s LYS 6 CO 0.00 -0.16 -0.11 0.00 -0.92 0.00 0.00 175.35 174.16 1afp s TYR 8 N -2.12 2.63 -0.22 0.00 2.02 -0.62 -1.71 117.35 117.32 1afp s TYR 8 Ca 0.04 -0.22 -0.16 0.00 -0.37 0.00 0.00 57.07 56.36 1afp s TYR 8 Cb -0.05 -1.30 -0.18 0.00 -0.40 0.00 0.00 41.96 40.03 1afp s TYR 8 CO 0.01 0.49 0.04 0.36 -1.57 0.00 0.00 175.55 174.88 1afp n LYS 9 N 0.17 0.60 0.16 -0.62 -0.00 -1.26 0.16 118.16 117.37 1afp n LYS 9 Ca -0.11 0.42 0.18 0.00 -0.00 0.00 0.00 58.31 58.80 1afp n LYS 9 Cb 0.55 -1.65 0.79 0.00 -0.00 0.00 0.00 35.03 34.71 1afp n LYS 9 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1afp h LYS 10 N -0.79 0.00 0.00 -1.58 3.64 -1.96 0.45 116.57 116.32 1afp h LYS 10 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1afp h LYS 10 Cb 1.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1afp h LYS 10 CO -0.23 0.00 -0.56 -0.25 -2.27 0.00 0.00 179.45 176.14 1afp n ASP 11 N -3.84 1.12 -3.97 4.20 8.00 -1.26 -5.02 116.55 115.78 1afp n ASP 11 Ca 0.04 -0.48 -0.42 0.00 0.71 0.00 0.00 54.79 54.63 1afp n ASP 11 Cb 0.43 1.08 0.03 0.00 -0.02 0.00 0.00 41.12 42.64 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1afp n ASN 12 N -1.30 -4.48 -3.46 -2.24 5.15 0.12 -4.77 115.26 104.28 1afp n ASN 12 Ca 0.01 -1.22 -0.22 0.00 -0.60 0.00 0.00 54.58 52.55 1afp n ASN 12 Cb 0.12 -2.09 -0.07 0.00 -0.53 0.00 0.00 39.78 37.20 1afp n ASN 12 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1afp n ILE 13 N -4.76 0.00 -3.70 -1.44 -6.64 -0.57 0.30 119.36 102.56 1afp n ILE 13 Ca -0.11 -2.35 -0.29 0.00 -1.77 0.00 0.00 62.75 58.23 1afp n ILE 13 Cb 0.57 1.03 -0.16 0.00 -1.44 0.00 0.00 39.64 39.64 1afp n ILE 13 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1afp s LYS 15 N 1.82 4.20 0.32 0.00 -2.85 0.29 0.93 119.74 124.46 1afp s LYS 15 Ca 0.05 -0.02 -0.15 0.00 -1.00 0.00 0.00 55.97 54.85 1afp s LYS 15 Cb -0.17 -3.46 0.03 0.00 -2.06 0.00 0.00 37.83 32.17 1afp s LYS 15 CO -0.19 0.18 0.66 1.52 0.10 0.00 0.00 175.35 177.62 1afp s TYR 16 N 0.67 0.23 -0.51 1.78 1.13 -1.26 -0.35 117.35 119.04 1afp s TYR 16 Ca 0.13 -0.71 -0.12 0.00 -1.41 0.00 0.00 57.07 54.96 1afp s TYR 16 Cb -0.13 0.54 0.13 0.00 -1.10 0.00 0.00 41.96 41.40 1afp s TYR 16 CO 0.03 -1.30 0.42 0.21 -2.51 0.00 0.00 175.55 172.39 1afp s LYS 17 N -3.19 2.70 1.03 -3.49 2.36 -1.25 -4.29 119.74 113.60 1afp s LYS 17 Ca 0.18 -1.77 -0.19 0.00 -2.55 0.00 0.00 55.97 51.64 1afp s LYS 17 Cb -0.04 -4.08 -0.03 0.00 -1.05 0.00 0.00 37.83 32.63 1afp s LYS 17 CO 0.11 -1.25 -0.41 0.00 1.55 0.00 0.00 175.35 175.35 1afp n ALA 18 N 5.01 -4.41 -0.12 3.13 0.00 -1.26 -4.73 120.51 118.13 1afp n ALA 18 Ca -0.10 -1.03 0.06 0.00 0.00 0.00 0.00 53.44 52.37 1afp n ALA 18 Cb 0.41 -1.35 0.38 0.00 0.00 0.00 0.00 19.45 18.88 1afp n ALA 18 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1afp h GLN 19 N -1.49 0.67 -0.03 0.00 -0.00 -1.97 -1.97 115.11 110.32 1afp h GLN 19 Ca -0.46 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 1afp h GLN 19 Cb 1.34 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 28.67 1afp h GLN 19 CO 0.30 0.44 0.00 -1.13 0.00 0.00 0.00 178.83 178.45 1afp n SER 20 N -4.47 1.82 0.00 -0.69 3.41 -1.26 -4.96 113.62 107.47 1afp n SER 20 Ca 0.08 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 1afp n SER 20 Cb 0.17 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1afp n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1afp n GLY 21 N 0.51 0.75 0.33 5.00 0.00 -0.74 -4.86 105.19 106.17 1afp n GLY 21 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1afp n GLY 21 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1afp h LYS 22 N 2.15 1.06 0.00 1.61 3.11 -1.93 -3.44 116.57 119.13 1afp h LYS 22 Ca 0.00 -0.17 -0.20 0.00 -2.81 0.00 0.00 60.65 57.47 1afp h LYS 22 Cb 0.03 -0.18 0.08 0.00 -1.00 0.00 0.00 32.23 31.16 1afp h LYS 22 CO 0.00 0.84 0.19 -2.37 -2.81 0.00 0.00 179.45 175.31 1afp n THR 23 N -4.30 0.00 0.00 1.00 5.66 -1.26 -5.03 114.28 110.34 1afp n THR 23 Ca 0.07 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1afp n THR 23 Cb 0.16 -1.77 0.00 0.00 -1.55 0.00 0.00 70.33 67.18 1afp n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1afp n ALA 24 N -3.40 0.00 -1.69 1.79 0.00 -1.26 -4.48 120.51 111.46 1afp n ALA 24 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1afp n ALA 24 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1afp n ALA 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1afp n ILE 25 N 0.00 -5.54 -3.34 0.00 5.41 -1.21 -4.94 119.36 109.74 1afp n ILE 25 Ca 0.00 2.52 -0.03 0.00 1.00 0.00 0.00 62.75 66.25 1afp n ILE 25 Cb 0.00 -3.44 -0.05 0.00 -0.71 0.00 0.00 39.64 35.44 1afp n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1afp n LYS 27 N 5.41 0.00 0.00 0.00 5.02 -1.26 0.42 118.16 127.75 1afp n LYS 27 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1afp n LYS 27 Cb 0.50 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp n TYR 29 N -1.78 0.00 0.00 0.00 9.36 -1.26 -4.95 117.16 118.54 1afp n TYR 29 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1afp n TYR 29 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1afp n TYR 29 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1afp n VAL 30 N 0.00 0.00 -1.66 2.97 0.24 -1.26 -3.31 118.33 115.31 1afp n VAL 30 Ca 0.00 1.18 -0.20 0.00 -2.04 0.00 0.00 64.34 63.28 1afp n VAL 30 Cb 0.00 -1.66 -0.06 0.00 -1.47 0.00 0.00 33.84 30.65 1afp n VAL 30 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1afp s LYS 31 N -1.84 1.86 1.03 7.34 1.02 -1.26 -4.90 119.74 122.98 1afp s LYS 31 Ca 0.00 0.51 -0.18 0.00 0.02 0.00 0.00 55.97 56.33 1afp s LYS 31 Cb 0.00 -4.78 0.07 0.00 -0.52 0.00 0.00 37.83 32.60 1afp s LYS 31 CO 0.00 -4.05 -0.16 1.63 -0.92 0.00 0.00 175.35 171.85 1afp n LYS 32 N 8.87 -1.52 -2.51 1.68 5.02 -1.21 -4.82 118.16 123.67 1afp n LYS 32 Ca 0.43 -0.44 -0.38 0.00 -2.02 0.00 0.00 58.31 55.90 1afp n LYS 32 Cb 0.46 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp h PRO 34 N 3.10 0.44 -1.49 0.00 0.13 -1.90 -3.40 132.00 128.89 1afp h PRO 34 Ca -0.48 -0.43 0.10 0.00 -0.87 0.00 0.00 66.00 64.32 1afp h PRO 34 Cb 1.21 0.11 -0.28 0.00 0.13 0.00 0.00 31.00 32.18 1afp h PRO 34 CO 0.64 1.08 0.51 -0.98 -0.23 0.00 0.00 178.00 179.03 1afp s ARG 35 N -3.37 0.40 0.02 0.86 1.70 -1.26 -4.89 118.95 112.40 1afp s ARG 35 Ca -0.13 0.52 -0.35 0.00 -0.47 0.00 0.00 55.73 55.30 1afp s ARG 35 Cb 0.04 0.17 -0.18 0.00 -0.57 0.00 0.00 34.95 34.42 1afp s ARG 35 CO 0.82 -0.05 0.91 -3.47 -1.08 0.00 0.00 175.30 172.43 1afp n ASP 36 N 2.45 -0.12 0.00 -2.89 -0.08 -1.26 -0.53 116.55 114.11 1afp n ASP 36 Ca -0.13 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.18 1afp n ASP 36 Cb 0.56 -0.83 0.00 0.00 2.34 0.00 0.00 41.12 43.20 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1afp n GLY 37 N 1.39 2.38 3.42 0.27 0.00 -0.69 -4.99 105.19 106.97 1afp n GLY 37 Ca 0.18 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.58 1afp n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1afp n ALA 38 N -0.41 -1.31 -1.68 4.61 0.00 0.31 -4.28 120.51 117.74 1afp n ALA 38 Ca 0.00 0.46 -0.35 0.00 0.00 0.00 0.00 53.44 53.55 1afp n ALA 38 Cb 0.00 -1.75 0.04 0.00 0.00 0.00 0.00 19.45 17.74 1afp n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1afp s LYS 39 N 2.66 2.90 0.32 0.00 2.36 -1.26 0.17 119.74 126.89 1afp s LYS 39 Ca 0.96 1.75 -0.13 0.00 -2.55 0.00 0.00 55.97 55.99 1afp s LYS 39 Cb -1.37 -1.93 0.02 0.00 -1.05 0.00 0.00 37.83 33.51 1afp s LYS 39 CO 0.74 -1.24 0.62 0.00 1.55 0.00 0.00 175.35 177.02 1afp s GLU 41 N -3.28 0.24 -0.47 0.00 1.03 -1.19 -1.12 118.70 113.91 1afp s GLU 41 Ca 0.20 0.45 -0.19 0.00 0.03 0.00 0.00 54.97 55.46 1afp s GLU 41 Cb -0.03 -0.02 0.04 0.00 -0.80 0.00 0.00 34.13 33.32 1afp s GLU 41 CO 0.12 -0.11 0.56 0.12 -1.33 0.00 0.00 175.26 174.61 1afp s PHE 42 N 0.82 3.10 0.17 4.83 2.19 0.49 -2.96 117.98 126.62 1afp s PHE 42 Ca -0.06 -0.44 -0.30 0.00 0.33 0.00 0.00 56.93 56.47 1afp s PHE 42 Cb -0.07 -3.30 -0.07 0.00 -1.31 0.00 0.00 43.02 38.27 1afp s PHE 42 CO -0.05 -0.89 1.01 0.34 1.83 0.00 0.00 175.22 177.45 1afp s ASP 43 N 2.31 7.45 0.00 6.13 3.68 -1.26 -1.42 116.67 133.56 1afp s ASP 43 Ca 0.15 1.94 0.22 0.00 2.13 0.00 0.00 52.55 56.99 1afp s ASP 43 Cb -0.18 -2.60 -0.13 0.00 -1.45 0.00 0.00 42.92 38.56 1afp s ASP 43 CO 0.13 -0.07 0.96 -1.54 0.13 0.00 0.00 175.17 174.79 1afp n SER 44 N 2.29 0.90 0.03 -0.34 3.41 -1.25 -2.17 113.62 116.50 1afp n SER 44 Ca 0.01 -0.86 0.06 0.00 -0.26 0.00 0.00 58.87 57.82 1afp n SER 44 Cb 0.48 0.92 0.25 0.00 -0.26 0.00 0.00 64.21 65.59 1afp n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afp n TYR 45 N -1.53 0.15 0.10 7.33 4.11 -1.26 -4.29 117.16 121.78 1afp n TYR 45 Ca 0.04 0.07 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 1afp n TYR 45 Cb 0.34 -0.61 0.00 0.00 -0.00 0.00 0.00 39.34 39.07 1afp n TYR 45 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1afp n LYS 46 N -1.65 0.00 0.00 -3.48 5.02 -1.26 -5.06 118.16 111.73 1afp n LYS 46 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1afp n LYS 46 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1afp n GLY 47 N 0.09 1.60 0.00 0.72 0.00 -0.92 -5.12 105.19 101.55 1afp n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1afp n GLY 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1afp n LYS 48 N -0.12 2.11 -3.16 1.61 4.81 -1.24 -4.99 118.16 117.19 1afp n LYS 48 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1afp n LYS 48 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp s TYR 50 N 1.13 1.75 -2.00 0.00 1.51 -1.16 -4.38 117.35 114.20 1afp s TYR 50 Ca 0.23 0.92 0.30 0.00 -1.01 0.00 0.00 57.07 57.51 1afp s TYR 50 Cb -0.05 -3.86 1.78 0.00 -0.11 0.00 0.00 41.96 39.72 1afp s TYR 50 CO -0.07 -1.24 2.11 0.00 -1.11 0.00 0.00 175.55 175.24